BMRB: 16894

MDM4 binds ligands via an induced fit mechanism in which disordered regions become structured

Authors

Sanchez, M.C., Renshaw, J.G., Davies, G.O., Barlow, P.N., Vogtherr, M.

Assembly

MDM4-nutlin3 complex

Entity

1. MDM4 N-terminal domain (polymer, Thiol state: all free), 102 monomers, 11432.17 Da Detail

GSHMDSASRI SPGQINQVRP KLPLLKILHA AGAQGEMFTV KEVMHYLGQY IMVKQLYDQQ EQHMVYCGGD LLGELLGRQS FSVKDPSPLY DMLRKNLVTL AT

2. IMY (non-polymer, Thiol state: not present), 567.506 Da

Total weight

11999.676 Da

Max. entity weight

11432.17 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 37.1 %, Completeness (bb): 69.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	37.1 % (447 of 1205)	17.0 % (107 of 630)	55.2 % (258 of 467)	75.9 % (82 of 108)
Backbone	69.8 % (420 of 602)	40.9 % (85 of 208)	85.2 % (253 of 297)	84.5 % (82 of 97)
Sidechain	14.8 % (103 of 696)	5.2 % (22 of 422)	30.8 % (81 of 263)	0.0 % (0 of 11)
Aromatic	5.3 % (4 of 76)	10.5 % (4 of 38)	0.0 % (0 of 38)
Methyl	4.3 % (5 of 116)	0.0 % (0 of 58)	8.6 % (5 of 58)

1. MDM4 N-terminal domain

GSHMDSASRI SPGQINQVRP KLPLLKILHA AGAQGEMFTV KEVMHYLGQY IMVKQLYDQQ EQHMVYCGGD LLGELLGRQS FSVKDPSPLY DMLRKNLVTL AT

Show sample condition

Sample

Solvent system 99% H2O / 1% DMSO, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MDM4 N-terminal domain	[U-100% 13C; U-100% 15N]		0.1 mM
2	Nutlin-3	natural abundance		0.2 (±0.1) mM
3	sodium chloride	natural abundance		100 mM
4	sodium azide	natural abundance		0.1 %
5	BisTris	natural abundance		50 mM
6	TCEP	natural abundance		2 mM
7	EDTA	natural abundance		0.1 mM
8	H2O	natural abundance		99 %
9	DMSO	natural abundance		1 %

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LACS Plot; CA

Referencing offset: 0.33 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.33 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.73 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Release date

2010-06-15

Citation

MDM4 binds ligands via a mechanism in which disordered regions become structured
Sanchez, M.C., Renshaw, J.G., Davies, G., Barlow, P.N., Vogtherr, M.
FEBS Lett. (2010), 584, 3035-3041, PubMed 20515689 , DOI 10.1016/j.febslet.2010.05.058 , Abstract

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. MDM4 N-terminal domain, : 1 : 33 : 45 entities Detail

Interaction partners 1. MDM4 N-terminal domain, : 29 interactors Detail

Experiments performed 4 experiments Detail

Chemical shift validation 4 contents Detail